(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene

C10H19O3P — CID 11333434

IUPAC(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene
SMILESCCOP(=O)(/C=C/C=C(C)C)OCC
InChIInChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7-9H,5-6H2,1-4H3/b9-7+
InChIKeyMOJVBBAFCDNIMT-VQHVLOKHSA-N
MW218.23 g/mol
LogP3.73
Rot. Bonds6

About (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene

(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene (PubChem CID 11333434) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene
PubChem CID11333434
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene
SMILESCCOP(=O)(/C=C/C=C(C)C)OCC
InChIInChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7-9H,5-6H2,1-4H3/b9-7+
InChIKeyMOJVBBAFCDNIMT-VQHVLOKHSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The IUPAC name of (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene (CID 11333434) is (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene.
What is the SMILES notation for (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The canonical SMILES for (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene is CCOP(=O)(/C=C/C=C(C)C)OCC.
What is the InChIKey of (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The InChIKey is MOJVBBAFCDNIMT-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19O3P/c1-5-12-14(11,13-6-2)9-7-8-10(3)4/h7-9H,5-6H2,1-4H3/b9-7+.
What are the key properties of (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene?
(1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene has a molecular weight of 218.23 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-diethoxyphosphoryl-4-methylpenta-1,3-diene is sourced from PubChem (CID 11333434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).